CID 101409755

8-azabicyclo[3.2.1]octane-1,2,4-triol

Structural Information

Molecular Formula
C7H13NO3
SMILES
C1CC2(C(CC(C1N2)O)O)O
InChI
InChI=1S/C7H13NO3/c9-5-3-6(10)7(11)2-1-4(5)8-7/h4-6,8-11H,1-3H2
InChIKey
FSMRMYVITPBGGD-UHFFFAOYSA-N
Compound name
8-azabicyclo[3.2.1]octane-1,2,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 132.6
[M+Na]+ 182.07876 140.1
[M+NH4]+ 177.12336 141.4
[M+K]+ 198.05270 136.6
[M-H]- 158.08226 130.2
[M+Na-2H]- 180.06421 133.6
[M]+ 159.08899 132.6
[M]- 159.09009 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.